SCHEMBL10246761

SCHEMBL10246761

O=c1ccc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.50
CCND1 P24385 14/20 0.50
CCND2 P30279 14/20 0.50
CCND3 P30281 14/20 0.50
CCNE2 O96020 4/20 0.46
FGFR1 P11362 4/20 0.46
CCNA2 P20248 4/20 0.46
FGFR2 P21802 4/20 0.46
FGFR4 P22455 4/20 0.46
FGFR3 P22607 4/20 0.46
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
CCNA1 P78396 4/20 0.46
CCNB2 O95067 3/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNB3 Q8WWL7 3/20 0.46
SRC P12931 1/20 0.46
PTK2 Q05397 2/20 0.45
MAPK8 P45983 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10246368 0.90 CDK4 (0.47) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL10192629 0.88 CDK4 (0.48) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL10192624 0.86 CDK4 (0.57) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL10246376 0.85 CDK4 (0.49) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL10192632 0.83 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL16286108 0.82 TDP1 (0.41)
SCHEMBL10192630 0.81 CDK4 (0.47) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL10192701 0.81 PAK3 (0.52) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL15034775 0.81 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL15035005 0.79 MAPK8 (0.47) CDK4CCND1CCND2CCND3CCNE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 CDK4 2592/4885CCND1 4850/4885CCND2 4797/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A CDK4 2824/4885CCND1 4822/4885CCND2 4718/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 CDK4 2735/4885CCND1 4872/4885CCND2 4839/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 CDK4 1028/4885CCND1 4465/4885CCND2 4323/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 CDK4 2596/4885CCND1 4856/4885CCND2 4795/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 CDK4 2822/4885CCND1 4884/4885CCND2 4879/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 CDK4 2088/4885CCND1 4589/4885CCND2 4566/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.